C599-0604 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(propan-2-yl)butanamide

C599-0604 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(propan-2-yl)butanamide
C599-0604 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(propan-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0604
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(propan-2-yl)butanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C599-0604

Molecular Formula

C24H23ClN4O4 (C24 H23 ClN4 O4)

Compound Name

N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(propan-2-yl)butanamide

IUPAC name

N-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}-4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-(propan-2-yl)butanamide

SMILES

CC(C)N(Cc1nc(-c(cc2)ccc2Cl)no1)C(CCCN(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C24H23ClN4O4/c1-15(2)29(14-20-26-22(27-33-20)16-9-11-17(25)12-10-16)21(30)8-5-13-28-23(31)18-6-3-4-7-19(18)24(28)32/h3-4,6-7,9-12,15H,5,8,13-14H2,1-2H3

InChI Key

ROWWNDRRIMYREO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05853523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.158

Distribution Coefficient, logD

4.158

Water Solubility, LogSw

-4.59

Polar Surface Area

76.512

Acid Dissociation Constant (pKa)

24.45

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C599-0604 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C599-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0604?
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What is the minimum amount of C599-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0604
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C599-0604 available by request